CID 3833816

4h,5h,6h,7h,8h,9h-cycloocta[d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C9H14N2S
SMILES
C1CCCC2=C(CC1)N=C(S2)N
InChI
InChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11)
InChIKey
WGULVBTUKIEYSA-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

182.08777 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 148.6
[M+Na]+ 205.07699 153.7
[M-H]- 181.08049 150.1
[M+NH4]+ 200.12159 158.4
[M+K]+ 221.05093 153.5
[M+H-H2O]+ 165.08503 145.0
[M+HCOO]- 227.08597 155.8
[M+CH3COO]- 241.10162 153.7
[M+Na-2H]- 203.06244 147.8
[M]+ 182.08722 147.3
[M]- 182.08832 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe